2-(2',2'-diethoxyethyl)-6-ethylthio-4(5H)-oxo-2H-pyrazolo<3,4-d>pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 2-(2',2'-diethoxyethyl)-6-ethylthio-4(5H)-oxo-2H-pyrazolo<3,4-d>pyrimidine
• 英文别名: 2-(2,2-diethoxyethyl)-6-ethylsulfanyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
• 化学式: C₁₃H₂₀N₄O₃S
• 分子量: 312.393
• InChiKey: NHASGDCUDQGICE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4,6-bis(ethylthio)-2-(2',2'-diethoxyethyl)-2H-pyrazolo<3,4-d>pyrimidine 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以78%的产率得到2-(2',2'-diethoxyethyl)-6-ethylthio-4(5H)-oxo-2H-pyrazolo<3,4-d>pyrimidine
  参考文献：
  名称：

  Synthesis of 4-amino/hydroxy-6-methylthio-12-(2′,2′-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines and their antiallergic activity

  摘要：

  The synthesis of a series of 4-amino/hydroxy-6-substituted- 1/2-(2',2'-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines by alkylation of substituted pyrazolo[3,4-d]pyrimidines has been described, and their antiallergic activity evaluated in mice. The 2 most active compounds 4b and 5b were also tested in the rat. The most active compound 4b showed non-significant antihistaminic or antiserotoninergic activity.

  DOI：

  10.1016/0223-5234(93)90089-w

文献信息

• Synthesis of 4-amino/hydroxy-6-methylthio-12-(2′,2′-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines and their antiallergic activity
  作者：K Avasthi、N Garg、T Chandra、DS Bhakuni、PP Gupta、RC Srimal

  DOI：10.1016/0223-5234(93)90089-w

  日期：1993.1

  The synthesis of a series of 4-amino/hydroxy-6-substituted- 1/2-(2',2'-diethoxyethyl)-1H/2H-pyrazolo[3,4-d]pyrimidines by alkylation of substituted pyrazolo[3,4-d]pyrimidines has been described, and their antiallergic activity evaluated in mice. The 2 most active compounds 4b and 5b were also tested in the rat. The most active compound 4b showed non-significant antihistaminic or antiserotoninergic activity.